4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid

C14H13N5O2 — CID 5309369

IUPAC4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid
SMILESCc1cc(Nc2ccc(C(=O)O)cc2)n2nc(C)nc2n1
InChIInChI=1S/C14H13N5O2/c1-8-7-12(19-14(15-8)16-9(2)18-19)17-11-5-3-10(4-6-11)13(20)21/h3-7,17H,1-2H3,(H,20,21)
InChIKeyPIQSEGRWYBDIMR-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.18
Rot. Bonds3

About 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid

4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid (PubChem CID 5309369) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid
PubChem CID5309369
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid
SMILESCc1cc(Nc2ccc(C(=O)O)cc2)n2nc(C)nc2n1
InChIInChI=1S/C14H13N5O2/c1-8-7-12(19-14(15-8)16-9(2)18-19)17-11-5-3-10(4-6-11)13(20)21/h3-7,17H,1-2H3,(H,20,21)
InChIKeyPIQSEGRWYBDIMR-UHFFFAOYSA-N
XLogP2.18
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid?
The IUPAC name of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid (CID 5309369) is 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid?
The canonical SMILES for 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid is Cc1cc(Nc2ccc(C(=O)O)cc2)n2nc(C)nc2n1.
What is the InChIKey of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid?
The InChIKey is PIQSEGRWYBDIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-7-12(19-14(15-8)16-9(2)18-19)17-11-5-3-10(4-6-11)13(20)21/h3-7,17H,1-2H3,(H,20,21).
What are the key properties of 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid?
4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoic acid is sourced from PubChem (CID 5309369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).